N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide

C17H29N3OSSi — CID 168948268

IUPACN-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1cnc2n1CCC2
InChIInChI=1S/C17H29N3OSSi/c1-17(2,3)22(21)19-14(9-8-12-23(4,5)6)15-13-18-16-10-7-11-20(15)16/h13-14,19H,7,9-11H2,1-6H3
InChIKeyDINQAVFGCQXLCC-UHFFFAOYSA-N
MW351.59 g/mol
LogP3.19
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide

N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide (PubChem CID 168948268) has the molecular formula C17H29N3OSSi and a molecular weight of 351.59 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide
PubChem CID168948268
Molecular FormulaC17H29N3OSSi
Molecular Weight351.59 g/mol
Exact Mass351.18
IUPAC NameN-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1cnc2n1CCC2
InChIInChI=1S/C17H29N3OSSi/c1-17(2,3)22(21)19-14(9-8-12-23(4,5)6)15-13-18-16-10-7-11-20(15)16/h13-14,19H,7,9-11H2,1-6H3
InChIKeyDINQAVFGCQXLCC-UHFFFAOYSA-N
XLogP3.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide (CID 168948268) is N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)NC(CC#C[Si](C)(C)C)c1cnc2n1CCC2.
What is the InChIKey of N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide?
The InChIKey is DINQAVFGCQXLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3OSSi/c1-17(2,3)22(21)19-14(9-8-12-23(4,5)6)15-13-18-16-10-7-11-20(15)16/h13-14,19H,7,9-11H2,1-6H3.
What are the key properties of N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide?
N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide has a molecular weight of 351.59 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)-4-trimethylsilylbut-3-ynyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 168948268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).